UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R,2R)-1'-[(3,4-difluorophenyl)methyl]-2-hydroxy-spiro[indane-3,4'-piperidine]-1-yl]-2-methoxy-b N-[(1R,2R)-1'-[(3,4-difluorophen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.57 0.6 -72.41 3 5 1 63 479.547 5 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-hydroxy-1'-[(2-hydroxy-6-methoxy-phenyl)methyl]spiro[indane-3,4'-piperidine]-1-yl]-2-me N-[(1R,2R)-2-hydroxy-1'-[(2-hydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.26 -1.6 -47.56 4 7 1 92 489.592 6 ↓

Analogs

42189900
42189900
42189902
42189902
42189904
42189904
42189906
42189906
11788341
11788341

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Popular Name: N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[indane-3,4'-piperidine]-1-yl]-2-methoxy-benza N-[(1R,2R)-2-hydroxy-1'-[(3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 -0.85 -61.8 3 6 1 72 473.593 6 ↓

Analogs

42189460
42189460
42189462
42189462
42189464
42189464
42189466
42189466

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Popular Name: N-[(1R,2R)-2-hydroxy-1'-[(3-hydroxy-4-methoxy-phenyl)methyl]spiro[indane-3,4'-piperidine]-1-yl]benza N-[(1R,2R)-2-hydroxy-1'-[(3-hydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 -2.24 -52.95 4 6 1 83 459.566 5 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-hydroxy-1'-[(3-hydroxy-4-methoxy-phenyl)methyl]spiro[indane-3,4'-piperidine]-1-yl]-2-me N-[(1R,2R)-2-hydroxy-1'-[(3-hydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 -1.51 -58.7 4 7 1 92 489.592 6 ↓

Analogs

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Popular Name: N-[(1R,2R)-1'-[(2,5-difluorophenyl)methyl]-2-methoxy-spiro[indane-3,4'-piperidine]-1-yl]-2-methoxy-b N-[(1R,2R)-1'-[(2,5-difluorophen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.18 2.49 -59.63 2 5 1 52 493.574 6 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-hydroxy-1'-[(2-hydroxy-3-methoxy-phenyl)methyl]spiro[indane-3,4'-piperidine]-1-yl]benza N-[(1R,2R)-2-hydroxy-1'-[(2-hydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.30 -2.02 -51.03 4 6 1 83 459.566 5 ↓

Analogs

42189143
42189143
42189147
42189147
42189148
42189148
42189157
42189157
42189159
42189159

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Popular Name: N-[(1R,2R)-2-hydroxy-1'-(p-tolylmethyl)spiro[indane-3,4'-piperidine]-1-yl]-2-methoxy-benzamide N-[(1R,2R)-2-hydroxy-1'-(p-tolyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.76 -0.54 -57.7 3 5 1 63 457.594 5 ↓

Parameters Provided:

ring.id = 48231
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 48231 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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